3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole

C24H29N3S — CID 42798476

IUPAC3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
SMILESCc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2C)cc1C
InChIInChI=1S/C24H29N3S/c1-17-13-14-20(15-19(17)3)16-28-24-26-25-23(21-10-5-4-6-11-21)27(24)22-12-8-7-9-18(22)2/h7-9,12-15,21H,4-6,10-11,16H2,1-3H3
InChIKeyRZVKIOUYJGTGLA-UHFFFAOYSA-N
MW391.58 g/mol
LogP6.53
Rot. Bonds5

About 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole

3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole (PubChem CID 42798476) has the molecular formula C24H29N3S and a molecular weight of 391.58 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
PubChem CID42798476
Molecular FormulaC24H29N3S
Molecular Weight391.58 g/mol
Exact Mass391.21
IUPAC Name3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
SMILESCc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2C)cc1C
InChIInChI=1S/C24H29N3S/c1-17-13-14-20(15-19(17)3)16-28-24-26-25-23(21-10-5-4-6-11-21)27(24)22-12-8-7-9-18(22)2/h7-9,12-15,21H,4-6,10-11,16H2,1-3H3
InChIKeyRZVKIOUYJGTGLA-UHFFFAOYSA-N
XLogP6.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylsulfanyl-5-cyclohexyl-4-(2-methylphenyl)-1,2,4-triazole
CID 42798458
3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
CID 24718780
3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole
CID 7207739
3-[(3-bromophenyl)methylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole
CID 41425745
3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
CID 42799265
3,4-bis(2-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 42798544
3-benzylsulfanyl-5-cyclopropyl-4-(4-methoxyphenyl)-1,2,4-triazole
CID 42799246
4-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
CID 955138
3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
CID 42798487
4-cyclohexyl-3-[[4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 16516707
3-cyclopentyl-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
CID 17303220
3-cyclohexyl-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17303270

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole (CID 42798476) is 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole is Cc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2C)cc1C.
What is the InChIKey of 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole?
The InChIKey is RZVKIOUYJGTGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3S/c1-17-13-14-20(15-19(17)3)16-28-24-26-25-23(21-10-5-4-6-11-21)27(24)22-12-8-7-9-18(22)2/h7-9,12-15,21H,4-6,10-11,16H2,1-3H3.
What are the key properties of 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole?
3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole has a molecular weight of 391.58 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 42798476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).